BDBM50167930 2-{1-ferra-1,1'-spirobi[pentacyclo[2.2.0.0^{1,3}.0^{1,5}.0^{2,6}]hexane]-2,2',4,4'-tetraen-6-yl}-N-{4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl}acetamide::CHEMBL425731

SMILES: [Fe]123456789C%10=C1C2=C3C4%10CC(=O)NCCCCN1CCN(c2c(cccc2)OC)CC1.C51=C6C7C8=C91

InChI Key: InChIKey=GSKIBXAKIMNNTN-UHFFFAOYSA-N

Data: 6 KI

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50167930   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50167930 (2-{1-ferra-1,1'-spirobi[pentacyclo[2.2.0.0^{1,3}.0...) Show SMILES [Fe]123456789C%10=C1C2=C3C4%10CC(=O)NCCCCN1CCN(c2c(cccc2)OC)CC1.C51=C6C7C8=C91 |c:1,5,35,41,(-2.12,-1.46,;.2,-1.15,;-.88,-1.51,;-1.56,-.59,;-.89,.33,;.2,-.01,;1.53,.75,;2.86,-.02,;2.86,-1.58,;4.2,.76,;5.54,-.01,;6.88,.77,;8.22,.02,;9.55,.79,;10.89,.02,;10.9,-1.53,;12.24,-2.29,;13.57,-1.51,;14.91,-2.28,;16.24,-1.51,;17.58,-2.28,;17.58,-3.82,;16.24,-4.59,;14.91,-3.82,;16.24,.04,;17.58,.81,;13.58,.02,;12.22,.8,;-2.57,-2.75,;-3.22,-3.66,;-4.3,-3.31,;-4.3,-2.18,;-3.23,-1.82,)| Show InChI InChI=1S/C22H26N3O2.C5H.Fe/c1-27-21-11-5-4-10-20(21)25-16-14-24(15-17-25)13-7-6-12-23-22(26)18-19-8-2-3-9-19;1-2-4-5-3-1;/h4-5,10-11H,6-7,12-18H2,1H3,(H,23,26);1H;	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Friedrich Alexander University Curated by ChEMBL					Assay Description Inhibition of [3H]spiperone binding to human dopamine receptor D3 expressed in Chinese hamster ovary cells				J Med Chem 48: 3696-9 (2005) Article DOI: 10.1021/jm050170s BindingDB Entry DOI: 10.7270/Q20K29BF
					More data for this Ligand-Target Pair
D(4) dopamine receptor (Homo sapiens (Human))	BDBM50167930 (2-{1-ferra-1,1'-spirobi[pentacyclo[2.2.0.0^{1,3}.0...) Show SMILES [Fe]123456789C%10=C1C2=C3C4%10CC(=O)NCCCCN1CCN(c2c(cccc2)OC)CC1.C51=C6C7C8=C91 |c:1,5,35,41,(-2.12,-1.46,;.2,-1.15,;-.88,-1.51,;-1.56,-.59,;-.89,.33,;.2,-.01,;1.53,.75,;2.86,-.02,;2.86,-1.58,;4.2,.76,;5.54,-.01,;6.88,.77,;8.22,.02,;9.55,.79,;10.89,.02,;10.9,-1.53,;12.24,-2.29,;13.57,-1.51,;14.91,-2.28,;16.24,-1.51,;17.58,-2.28,;17.58,-3.82,;16.24,-4.59,;14.91,-3.82,;16.24,.04,;17.58,.81,;13.58,.02,;12.22,.8,;-2.57,-2.75,;-3.22,-3.66,;-4.3,-3.31,;-4.3,-2.18,;-3.23,-1.82,)| Show InChI InChI=1S/C22H26N3O2.C5H.Fe/c1-27-21-11-5-4-10-20(21)25-16-14-24(15-17-25)13-7-6-12-23-22(26)18-19-8-2-3-9-19;1-2-4-5-3-1;/h4-5,10-11H,6-7,12-18H2,1H3,(H,23,26);1H;	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	3.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Friedrich Alexander University Curated by ChEMBL					Assay Description Inhibition of [3H]spiperone binding to human dopamine receptor D4.4 expressed in Chinese hamster ovary cells				J Med Chem 48: 3696-9 (2005) Article DOI: 10.1021/jm050170s BindingDB Entry DOI: 10.7270/Q20K29BF
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50167930 (2-{1-ferra-1,1'-spirobi[pentacyclo[2.2.0.0^{1,3}.0...) Show SMILES [Fe]123456789C%10=C1C2=C3C4%10CC(=O)NCCCCN1CCN(c2c(cccc2)OC)CC1.C51=C6C7C8=C91 |c:1,5,35,41,(-2.12,-1.46,;.2,-1.15,;-.88,-1.51,;-1.56,-.59,;-.89,.33,;.2,-.01,;1.53,.75,;2.86,-.02,;2.86,-1.58,;4.2,.76,;5.54,-.01,;6.88,.77,;8.22,.02,;9.55,.79,;10.89,.02,;10.9,-1.53,;12.24,-2.29,;13.57,-1.51,;14.91,-2.28,;16.24,-1.51,;17.58,-2.28,;17.58,-3.82,;16.24,-4.59,;14.91,-3.82,;16.24,.04,;17.58,.81,;13.58,.02,;12.22,.8,;-2.57,-2.75,;-3.22,-3.66,;-4.3,-3.31,;-4.3,-2.18,;-3.23,-1.82,)| Show InChI InChI=1S/C22H26N3O2.C5H.Fe/c1-27-21-11-5-4-10-20(21)25-16-14-24(15-17-25)13-7-6-12-23-22(26)18-19-8-2-3-9-19;1-2-4-5-3-1;/h4-5,10-11H,6-7,12-18H2,1H3,(H,23,26);1H;	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Friedrich Alexander University Curated by ChEMBL					Assay Description Binding affinity towards porcine serotonin receptor 5-HT1A using [3H]8-OH-DPAT				J Med Chem 48: 3696-9 (2005) Article DOI: 10.1021/jm050170s BindingDB Entry DOI: 10.7270/Q20K29BF
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50167930 (2-{1-ferra-1,1'-spirobi[pentacyclo[2.2.0.0^{1,3}.0...) Show SMILES [Fe]123456789C%10=C1C2=C3C4%10CC(=O)NCCCCN1CCN(c2c(cccc2)OC)CC1.C51=C6C7C8=C91 |c:1,5,35,41,(-2.12,-1.46,;.2,-1.15,;-.88,-1.51,;-1.56,-.59,;-.89,.33,;.2,-.01,;1.53,.75,;2.86,-.02,;2.86,-1.58,;4.2,.76,;5.54,-.01,;6.88,.77,;8.22,.02,;9.55,.79,;10.89,.02,;10.9,-1.53,;12.24,-2.29,;13.57,-1.51,;14.91,-2.28,;16.24,-1.51,;17.58,-2.28,;17.58,-3.82,;16.24,-4.59,;14.91,-3.82,;16.24,.04,;17.58,.81,;13.58,.02,;12.22,.8,;-2.57,-2.75,;-3.22,-3.66,;-4.3,-3.31,;-4.3,-2.18,;-3.23,-1.82,)| Show InChI InChI=1S/C22H26N3O2.C5H.Fe/c1-27-21-11-5-4-10-20(21)25-16-14-24(15-17-25)13-7-6-12-23-22(26)18-19-8-2-3-9-19;1-2-4-5-3-1;/h4-5,10-11H,6-7,12-18H2,1H3,(H,23,26);1H;	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	45	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Friedrich Alexander University Curated by ChEMBL					Assay Description Inhibition of [3H]spiperone binding to human dopamine receptor D2 short expressed in Chinese hamster ovary cells				J Med Chem 48: 3696-9 (2005) Article DOI: 10.1021/jm050170s BindingDB Entry DOI: 10.7270/Q20K29BF
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50167930 (2-{1-ferra-1,1'-spirobi[pentacyclo[2.2.0.0^{1,3}.0...) Show SMILES [Fe]123456789C%10=C1C2=C3C4%10CC(=O)NCCCCN1CCN(c2c(cccc2)OC)CC1.C51=C6C7C8=C91 |c:1,5,35,41,(-2.12,-1.46,;.2,-1.15,;-.88,-1.51,;-1.56,-.59,;-.89,.33,;.2,-.01,;1.53,.75,;2.86,-.02,;2.86,-1.58,;4.2,.76,;5.54,-.01,;6.88,.77,;8.22,.02,;9.55,.79,;10.89,.02,;10.9,-1.53,;12.24,-2.29,;13.57,-1.51,;14.91,-2.28,;16.24,-1.51,;17.58,-2.28,;17.58,-3.82,;16.24,-4.59,;14.91,-3.82,;16.24,.04,;17.58,.81,;13.58,.02,;12.22,.8,;-2.57,-2.75,;-3.22,-3.66,;-4.3,-3.31,;-4.3,-2.18,;-3.23,-1.82,)| Show InChI InChI=1S/C22H26N3O2.C5H.Fe/c1-27-21-11-5-4-10-20(21)25-16-14-24(15-17-25)13-7-6-12-23-22(26)18-19-8-2-3-9-19;1-2-4-5-3-1;/h4-5,10-11H,6-7,12-18H2,1H3,(H,23,26);1H;	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	66	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Friedrich Alexander University Curated by ChEMBL					Assay Description Inhibition of [3H]spiperone binding to human dopamine receptor D2 long expressed in Chinese hamster ovary cells				J Med Chem 48: 3696-9 (2005) Article DOI: 10.1021/jm050170s BindingDB Entry DOI: 10.7270/Q20K29BF
					More data for this Ligand-Target Pair
Dopamine D1 receptor (Sus scrofa)	BDBM50167930 (2-{1-ferra-1,1'-spirobi[pentacyclo[2.2.0.0^{1,3}.0...) Show SMILES [Fe]123456789C%10=C1C2=C3C4%10CC(=O)NCCCCN1CCN(c2c(cccc2)OC)CC1.C51=C6C7C8=C91 |c:1,5,35,41,(-2.12,-1.46,;.2,-1.15,;-.88,-1.51,;-1.56,-.59,;-.89,.33,;.2,-.01,;1.53,.75,;2.86,-.02,;2.86,-1.58,;4.2,.76,;5.54,-.01,;6.88,.77,;8.22,.02,;9.55,.79,;10.89,.02,;10.9,-1.53,;12.24,-2.29,;13.57,-1.51,;14.91,-2.28,;16.24,-1.51,;17.58,-2.28,;17.58,-3.82,;16.24,-4.59,;14.91,-3.82,;16.24,.04,;17.58,.81,;13.58,.02,;12.22,.8,;-2.57,-2.75,;-3.22,-3.66,;-4.3,-3.31,;-4.3,-2.18,;-3.23,-1.82,)| Show InChI InChI=1S/C22H26N3O2.C5H.Fe/c1-27-21-11-5-4-10-20(21)25-16-14-24(15-17-25)13-7-6-12-23-22(26)18-19-8-2-3-9-19;1-2-4-5-3-1;/h4-5,10-11H,6-7,12-18H2,1H3,(H,23,26);1H;	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	750	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Friedrich Alexander University Curated by ChEMBL					Assay Description Inhibition of [3H]-SCH- 23390 binding to dopamine receptor D1 of porcine striatal membranes				J Med Chem 48: 3696-9 (2005) Article DOI: 10.1021/jm050170s BindingDB Entry DOI: 10.7270/Q20K29BF
					More data for this Ligand-Target Pair